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Details

Stereochemistry ACHIRAL
Molecular Formula C18H16N4O2
Molecular Weight 320.3452
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 4-METHYL-3-((4-(PYRIDIN-3-YL)PYRIMIDIN-2-YL)AMINO)BENZOATE

SMILES

COC(=O)C1=CC(NC2=NC(=CC=N2)C3=CC=CN=C3)=C(C)C=C1

InChI

InChIKey=BECBKQYLJDEVDN-UHFFFAOYSA-N
InChI=1S/C18H16N4O2/c1-12-5-6-13(17(23)24-2)10-16(12)22-18-20-9-7-15(21-18)14-4-3-8-19-11-14/h3-11H,1-2H3,(H,20,21,22)

HIDE SMILES / InChI

Molecular Formula C18H16N4O2
Molecular Weight 320.3452
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 23:41:58 UTC 2023
Edited
by admin
on Thu Jul 06 23:41:58 UTC 2023
Record UNII
HKX2YWY42Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 4-METHYL-3-((4-(PYRIDIN-3-YL)PYRIMIDIN-2-YL)AMINO)BENZOATE
Systematic Name English
NILOTINIB HYDROCHLORIDE MONOHYDRATE IMPURITY G [EP IMPURITY]
Common Name English
Code System Code Type Description
CAS
917392-54-2
Created by admin on Thu Jul 06 23:41:58 UTC 2023 , Edited by admin on Thu Jul 06 23:41:58 UTC 2023
PRIMARY
EPA CompTox
DTXSID40589940
Created by admin on Thu Jul 06 23:41:58 UTC 2023 , Edited by admin on Thu Jul 06 23:41:58 UTC 2023
PRIMARY
FDA UNII
HKX2YWY42Y
Created by admin on Thu Jul 06 23:41:58 UTC 2023 , Edited by admin on Thu Jul 06 23:41:58 UTC 2023
PRIMARY
PUBCHEM
17748019
Created by admin on Thu Jul 06 23:41:58 UTC 2023 , Edited by admin on Thu Jul 06 23:41:58 UTC 2023
PRIMARY
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